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<a href="http://theossrv1.epfl.ch/Main/OxidationStates">http://theossrv1.epfl.ch/Main/OxidationStates</a><br>
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<div id="AppleMailSignature">Sent from a tiny keyboard... Contact info:
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<div><a href="http://theossrv1.epfl.ch/Main/Contact">http://theossrv1.epfl.ch/Main/Contact</a></div>
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On 8 Dec 2017, at 07:05, Christoph Wolf <<a href="mailto:wolf.christoph@qns.science">wolf.christoph@qns.science</a>> wrote:<br>
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<div dir="ltr">Sorry for the prematurely sent email just before;
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<div>to follow up: I can see that the Fe magnetic moment changes quite a lot but the charge does not. Is there any "trick" to force the charge to reside more on Fe? I read that constraint DFT would allow this but is not available currently in QE (I am using
6.1).</div>
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<div>Any hint is very welcome!</div>
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<div>Thank you in advance for your time and assistance!</div>
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<div>With best regards,</div>
<div>Chris <br clear="all">
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-- <br>
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<div dir="ltr">Postdoctoral Researcher<br>
Center for Quantum Nanoscience, Institute for Basic Science<br>
Ewha Womans University, Seoul, South Korea
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